General Information of the Compound
| Compound ID |
CP0396848
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| Compound Name |
ethyl 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
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| Structure |
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| Formula |
C21H21N5O5
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| Molecular Weight |
423.429
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| Canonical SMILES |
CCOC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(nc12)-c1ccco1
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| InChI |
InChI=1S/C21H21N5O5/c1-4-30-20(27)14-12-23-21(22-11-13-7-8-15(28-2)17(10-13)29-3)26-19(14)24-18(25-26)16-6-5-9-31-16/h5-10,12H,4,11H2,1-3H3,(H,22,23)
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| InChIKey |
VZKOSFXYYAOWFE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3